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Neoatroviridin d

  • Formula: C83H146N20O21

  • Molecular weight: 1760.20

  • Smiles: CCC(C)(C(=O)NC(CCC(=O)N)C(=O)NC(C)(CC)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(CC)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)CO)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(C)(C)NC(=O)C

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Neoatroviridin d

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Neoatroviridin d

  • First synonym: Neoatroviridin d

  • Synonyms: Neoatroviridin D

Identifiers / External links

Structure

  • Smiles: CCC(C)(C(=O)NC(CCC(=O)N)C(=O)NC(C)(CC)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(CC)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)CO)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(C)(C)NC(=O)C

  • Isomeric smiles: CCC(C)(C(=O)NC(CCC(=O)N)C(=O)NC(C)(CC)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(CC)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)CO)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(C)(C)NC(=O)C

  • Inchi: InChI=1S/C83H146N20O21/c1-27-81(24,100-66(115)54(39-46(8)9)90-61(110)48(12)88-59(108)41-86-68(117)76(14,15)95-49(13)105)72(121)93-52(33-35-58(85)107)63(112)99-82(25,28-2)73(122)94-55(40-47(10)11)65(114)97-77(16,17)69(118)87-42-60(109)96-83(26,29-3)74(123)102-80(22,23)75(124)103-36-30-31-56(103)67(116)91-53(38-45(6)7)64(113)98-79(20,21)71(120)101-78(18,19)70(119)92-51(32-34-57(84)106)62(111)89-50(43-104)37-44(4)5/h44-48,50-56,104H,27-43H2,1-26H3,(H2,84,106)(H2,85,107)(H,86,117)(H,87,118)(H,88,108)(H,89,111)(H,90,110)(H,91,116)(H,92,119)(H,93,121)(H,94,122)(H,95,105)(H,96,109)(H,97,114)(H,98,113)(H,99,112)(H,100,115)(H,101,120)(H,102,123)

  • Inchikey: QAWVXRCHBIITPK-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C83H146N20O21

  • Molecular weight: 1760.20

  • Monoisotopic mass: 1759.09714175

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